C43H55N4O10P Uridín, 5′ -O- [bis(4-methocsaifeinil)feanilmheitil]-2′ -O- (2-methox yethyl)- 5-meitil-, 3′ – [2-chianoethyl N,N-bis(1- meitiile)fosfar amaidít] (ACI)
Uimhir Chláraithe CAS
163878-63-5
H302
Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
Meáchan Móilíneach | 818.89 | - |
pKa (Tuartha) | 9.55±0.10 | Teocht is Airde: 25 °C |
SMILES Canonical
N#CCCOP(OC1C(OC(N2C=C(C(=O)NC2=O)C)C1OCCOC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5= CC=C(OC)C=C5)N(C(C)C)C(C)C
SMILES Isiméireacha
C(OC[C@@H]1[C@H](OP(N(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)N2C(=O)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5= CC=CC=C5
InchI
InchI= 1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26-25- 50-6)46-27-31(5)40(48)45-42(46)49)2 8-54-43(32-13-10-9-11-14-32,33-15-19-35(51-7)20-16-33)34-17-21 -36(52-8)22-18-34/h9-11,13-22,27,29-30,37-39,41H,12,24-26,28H2, 1-8H3,(H,45,48,49)/t37-,38-,39-,41-,58?/m1/s1
Eochair InChI
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Ainmneacha Eile don tSubstaint seo
Uidín, 5′ -O- [bis(4- meatocsaifeinil)feinilmeitil]-2′ -O-(2-methocsaieitil)- 5-meitil-, 3′ - [2-cianoethyl bis(1-meitileitil)fosfar
amaidít] (9CI); 10: PN: US20030212017 LEATHANACH: 18 éileamh RNA; 11: PN: US20030211606 LEATHANACH: 18 éileamh RNA; 13: PN: US20040
005569 LEATHANACH: 21 éileamh RNA; 13: PN: US20040006030 LEATHANACH: 22 éileamh RNA; 13: PN: US20040014048 LEATHANACH: 19 éileamh RNA; 13: PN: US20040014049 LEATHANACH: 19 éileamh RNA; 14: PN: US20030198965 LEATHANACH: 19 éileamh RNA; 14: PN: US20040005565 LEATHANACH: 17- 22 éileamh RNA; 14: PN: US20040005570 LEATHANACH: 19 éileamh RNA; 14: PN: US20040014047 LEATHANACH: 19 éileamh RNA; 14: PN: US20040
014699 LEATHANACH: 19 éileamh RNA; 15: PN: US20040014050 LEATHANACH: 19 éileamh RNA; 15: PN: US20040014051 LEATHANACH: 21 éileamh RNA; 15:
PN: WO03106645 LEATHANACH: 69 éileamh RNA; 16: PN: US20040006029 LEATHANACH: 22 éileamh RNA; 87: PN: US20040005707 LEATHANACH: 19 éileamh RNA
Spectra ar fáil
1 H NMR
13 C NMR
Hetero NMR
Airíonna ar fáil
Bitheolaíoch
Ceimiceach
Lipinski
Struchtúr Gaolmhar
Maoin | Luach | Coinníoll | Foinse |
Fachtóir Bithtiúchana | 348 | pH 1; Teocht: 25 °C | (1) ACD |
Fachtóir Bithtiúchana | 2810 | pH 2; Teocht: 25 °C | (1) ACD |
Fachtóir Bithtiúchana | 21100 | pH 3; Teocht: 25 °C | (1) ACD |
Fachtóir Bithtiúchana | 63100 | pH 4; Teocht: 25 °C | (1) ACD |
Fachtóir Bithtiúchana | 78800 | pH 5; Teocht: 25 °C | (1) ACD |
Fachtóir Bithtiúchana | 80800 | pH 6; Teocht: 25 °C | (1) ACD |
Fachtóir Bithtiúchana | 80800 | pH 7; Teocht: 25 °C | (1) ACD |
Fachtóir Bithtiúchana | 78800 | pH 8; Teocht: 25 °C | (1) ACD |
Fachtóir Bithtiúchana | 63400 | pH 9; Teocht: 25 °C | (1) ACD |
Fachtóir Bithtiúchana | 21800 | pH 10; Teocht: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Maoin | Luach | Coinníoll | Foinse |
Cóc | 487 | pH 1; Teocht: 25 °C | (1) ACD |
Cóc | 3940 | pH 2; Teocht: 25 °C | (1) ACD |
Cóc | 29600 | pH 3; Teocht: 25 °C | (1) ACD |
Cóc | 88400 | pH 4; Teocht: 25 °C | (1) ACD |
Maoin | Luach | Coinníoll | Foinse |
Cóc | 1.10×105 | pH 5; Teocht: 25 °C | (1) ACD |
Cóc | 1.13×105 | pH 6; Teocht: 25 °C | (1) ACD |
Cóc | 1.13×105 | pH 7; Teocht: 25 °C | (1) ACD |
Cóc | 1.10×105 | pH 8; Teocht: 25 °C | (1) ACD |
Cóc | 88800 | pH 9; Teocht: 25 °C | (1) ACD |
Cóc | 30600 | pH 10; Teocht: 25 °C | (1) ACD |
logD | 4.39 | pH 1; Teocht: 25 °C | (1) ACD |
logD | 5.30 | pH 2; Teocht: 25 °C | (1) ACD |
logD | 6.18 | pH 3; Teocht: 25 °C | (1) ACD |
logD | 6.65 | pH 4; Teocht: 25 °C | (1) ACD |
logD | 6.75 | pH 5; Teocht: 25 °C | (1) ACD |
logD | 6.76 | pH 6; Teocht: 25 °C | (1) ACD |
logD | 6.76 | pH 7; Teocht: 25 °C | (1) ACD |
logD | 6.75 | pH 8; Teocht: 25 °C | (1) ACD |
logD | 6.65 | pH 9; Teocht: 25 °C | (1) ACD |
logD | 6. 19 | pH 10; Teocht: 25 °C | (1) ACD |
logP | 6.761±0.669 | Teocht: 25 °C | (1) ACD |
Tuaslagthacht Intreach Aifrinn | 2.0 x 10-4 g/L | Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 0.046 g/L | pH 1; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 5.7 x 10-3 g/L | pH 2; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 7.6 x 10-4 g/L | pH 3; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 2.5 x 10-4 g/L | pH 4; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 2.0 x 10-4 g/L | pH 5; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 2.0 x 10-4 g/L | pH 6; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 2.0 x 10-4 g/L | pH 7; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 2.0 x 10-4 g/L | pH 8; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 2.5 x 10-4 g/L | pH 9; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 7.4 x 10-4 g/L | pH 10; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Aifreann | 2.0 x 10-4 g/L | Uisce Neamh-mhaolaithe pH 7.00; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Intreach Molar | 2.4 x 10-7 mol/L | Teocht: 25 °C | (1) ACD |
Tuaslagthacht Molar | 5.6 x 10-5 mol/L | pH 1; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Molar | 7.0 x 10-6 mol/L | pH 2; Teocht: 25 °C | (1) ACD |
Maoin | Luach | Coinníoll | Foinse |
Tuaslagthacht Molar | 9.3 x 10-7 mol/L | pH 3; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Molar | 3.1 x 10-7 mol/L | pH 4; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Molar | 2.5 x 10-7 mol/L | pH 5; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Molar | 2.4 x 10-7 mol/L | pH 6; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Molar | 2.4 x 10-7 mol/L | pH 7; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Molar | 2.5 x 10-7 mol/L | pH 8; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Molar | 3.1 x 10-7 mol/L | pH 9; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Molar | 9.0 x 10-7 mol/L | pH 10; Teocht: 25 °C | (1) ACD |
Tuaslagthacht Molar | 2.4 x 10-7 mol/L | Uisce Neamh-mhaolaithe pH 7.00; Teocht: 25 °C | (1) ACD |
Meáchan Móilíneach | 818.89 | ||
pKa | 9.55±0.10 | Teocht is Airde: 25 °C | (1) ACD |
pKa | 3.45±0.70 | Teocht is Bunúsaí: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Maoin | Luach | Coinníoll | Foinse |
Bannaí Rothlach Saor in Aisce | 21 | (1) ACD | |
H Glacadóirí | 14 | (1) ACD | |
H Deontóirí | 1 | (1) ACD | |
H Suim Deontóra/Ghlacadóir | 15 | (1) ACD | |
logP | 6.761±0.669 | Teocht: 25 °C | (1) ACD |
Meáchan Móilíneach | 818.89 |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Maoin | Luach | Foinse Coinníoll |
Achar Dromchla Polar | 164 A2 | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ar fáil
1 H NMR
13 C NMR
Foinse Ráitis Ghuaise Cód | |
H302 Dochrach má shlogtar é | An Ghníomhaireacht Eorpach Ceimiceán (ECHA) Aicmiú agus Lipéadú Fardal - Aicmiú agus lipéadú ar tugadh fógra ina leith - na fógraí is coitianta, An Ghníomhaireacht Eorpach Ceimiceán (ECHA) Fardal Aicmithe&Lipéadaithe - Aicmiú agus lipéadú fógartha - na fógraí is tromchúisí |